N-[(1S)-1-(4-methoxyphenyl)ethyl]-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C18H23N3O — CID 122628517

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCOc1ccc([C@H](C)N(C)c2nc(C)nc3c2CCC3)cc1
InChIInChI=1S/C18H23N3O/c1-12(14-8-10-15(22-4)11-9-14)21(3)18-16-6-5-7-17(16)19-13(2)20-18/h8-12H,5-7H2,1-4H3/t12-/m0/s1
InChIKeyIEFFZWVVPHKQPV-LBPRGKRZSA-N
MW297.40 g/mol
LogP3.48
Rot. Bonds4

About N-[(1S)-1-(4-methoxyphenyl)ethyl]-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[(1S)-1-(4-methoxyphenyl)ethyl]-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 122628517) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID122628517
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCOc1ccc([C@H](C)N(C)c2nc(C)nc3c2CCC3)cc1
InChIInChI=1S/C18H23N3O/c1-12(14-8-10-15(22-4)11-9-14)21(3)18-16-6-5-7-17(16)19-13(2)20-18/h8-12H,5-7H2,1-4H3/t12-/m0/s1
InChIKeyIEFFZWVVPHKQPV-LBPRGKRZSA-N
XLogP3.48
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-(4-methoxyphenyl)ethyl]-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine with MolForge

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Related Compounds

N-butan-2-yl-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133472393
N-(4-ethoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 73293920
N-(4-hydroxysulfanylphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 122633281
2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]phenol
CID 133462148
2-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]acetaldehyde
CID 165107258
N-(4-methoxyphenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 44612041
4-[1-[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]benzoic acid
CID 155460711
1-(4-methoxyphenyl)-N-methyl-N-(trimethylsilylmethyl)ethanamine
CID 15113037
2-[1-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136780121
2-methyl-2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]propane-1,3-diol
CID 133472784
6-[1-(4-methoxyphenyl)ethyl-methylamino]pyridine-2-carbonitrile
CID 133350822
N,N-bis(2-chloroethyl)-1-(4-methoxyphenyl)ethanamine
CID 18416854

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 122628517) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is COc1ccc([C@H](C)N(C)c2nc(C)nc3c2CCC3)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is IEFFZWVVPHKQPV-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12(14-8-10-15(22-4)11-9-14)21(3)18-16-6-5-7-17(16)19-13(2)20-18/h8-12H,5-7H2,1-4H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 297.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 122628517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).